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canSAR1099738
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NAMES
    SMILES
    COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(OCCN3CCOCC3)c2)cc1OC
    InChI
    InChI=1S/C21H24BrF3N2O6S/c1-30-18-12-16(22)20(13-19(18)31-2)34(28,29)26-14-3-4-15(21(23,24)25)17(11-14)33-10-7-27-5-8-32-9-6-27/h3-4,11-13,26H,5-10H2,1-2H3
    MOLECULAR FORMULA
    C21H24BrF3N2O6S
    CROSS REFERENCES
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    canSAR1099738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.05
    AlogP 4.00
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1099738.